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Decoding Circular Dichroism Contributions in Chiral Hybrid Perovskites
Amina Alehyane
,
Mariagrazia Fortino
,
Florent Barbault
,
Antonio Monari
,
Adriana Pietropaolo
Article dans une revue
hal-05503845v1
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Experimental and Computational Study of Injectable Iron(III)/Ultrashort Peptide Hydrogels: A Candidate for Ferroptosis‐Induced Treatment of Bacterial Infections
Capucine Loth
,
Florent Barbault
,
Cécile Guégan
,
Flora Lemaire
,
Christophe Contal
et al.
Article dans une revue
hal-05039483v1
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Interaction between Yersinia pestis Ail Outer Membrane Protein and the C-Terminal Domain of Human Vitronectin
Laurine Vasseur
,
Florent Barbault
,
Antonio Monari
Article dans une revue
hal-05371508v1
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In silico design of a solution-gated graphene transistor sensor for the efficient detection of guanine quadruplexes
Aurianne Rainot
,
Luisa D’anna
,
Alessio Terenzi
,
Raphael Rouget
,
Stéphanie Grandemange
et al.
Article dans une revue
hal-04761163v1
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Molecular Bases and Specificity behind the Activation of the Immune System OAS/RNAse L Pathway by Viral RNA
Emma Jung-Rodriguez
,
Florent Barbault
,
Emmanuelle Bignon
,
Antonio Monari
Article dans une revue
hal-04746925v1
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Resolving the structure of guanine quadruplex in TMPRSS2 messenger RNA by circular dichroism and molecular modeling
Luisa D’anna
,
Aurane Froux
,
Aurianne Rainot
,
Angelo Spinello
,
Ugo Perricone
et al.
Article dans une revue
hal-04761166v1
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Synthesis and preliminary anticancer evaluation of photo-responsive prodrugs of hydroxymethylene bisphosphonate alendronate
Aurélie Descamps
,
Philippe Arnoux
,
Céline Frochot
,
Florent Barbault
,
Julia Deschamp
et al.
Article dans une revue
hal-05591800v1
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Salt-induced Fmoc-tripeptide Supramolecular Hydrogels: A Combined Experimental and Computational Study of the Selfassembly
Miryam Criado-Gonzalez
,
Mario Iván Peñas
,
Florent Barbault
,
Alejandro J Müller
,
Fouzia Boulmedais
et al.
Article dans une revue
hal-04564018v1
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The antibacterial properties of branched peptides based on poly(l-arginine): In vitro antibacterial evaluation and molecular dynamic simulations
Lebaudy Eloïse
,
Lauriane Petit
,
Yves Nominé
,
Béatrice Heurtault
,
Inès Ben Hadj Kaddour
et al.
Article dans une revue
hal-04976730v1
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Mechanism of the covalent inhibition of human transmembrane protease serine 2 as an original antiviral strategy
Angelo Spinello
,
Luisa D’anna
,
Emmanuelle Bignon
,
Tom Miclot
,
Stéphanie Grandemange
et al.
Article dans une revue
hal-04258941v1
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DockSurf: A Molecular Modeling Software for the Prediction of Protein/Surface Adhesion
Florent Barbault
,
Eric Brémond
,
Julien Rey
,
Pierre Tufféry
,
François Maurel
Article dans une revue
hal-05591797v1
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Between two walls: Modeling the adsorption behavior of β-glucosidase A on bare and SAM-functionalised gold surfaces
Nicolas Bourassin
,
Florent Barbault
,
Marc Baaden
,
Sophie Sacquin-Mora
Article dans une revue
hal-03294641v1
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Theobroma cacao improves bone growth by modulating defective ciliogenesis in a mouse model of achondroplasia
Ludovic Martin
,
Nabil Kaci
,
Catherine Benoist-Lasselin
,
Marine Mondoloni
,
Suzanne Decaudaveine
et al.
Article dans une revue
hal-03667757v1
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Synthesis and preliminary anticancer evaluation of new triazole bisphosphonate-based isoprenoid biosynthesis inhibitors
Thibaut Legigan
,
Evelyne Migianu-Griffoni
,
Mohamed Abdenour Redouane
,
Aurélie Descamps
,
Julia Deschamp
et al.
Article dans une revue
hal-03851484v1
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Computational Studies of a DNA-Based Aptasensor: toward Theory-Driven Transduction Improvement
Mario Araujo-Rocha
,
Benoît Piro
,
Vincent Noël
,
Florent Barbault
Article dans une revue
hal-05591785v1
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Grafting TRAIL through Either Amino or Carboxylic Groups onto Maghemite Nanoparticles: Influence on Pro-Apoptotic Efficiency
Hanene Belkahla
,
Andrei Alexandru Constantinescu
,
Tijani Gharbi
,
Florent Barbault
,
Alexandre Chevillot-Biraud
et al.
Article dans une revue
inserm-03516748v1
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Theoretical and Experimental Elucidation of the Adsorption Process of a Bioinspired Peptide on Mineral Surfaces
J. Touzeau
,
M. Seydou
,
F. Maurel
,
L. Tallet
,
A. Mutschler
et al.
Article dans une revue
hal-05591788v1
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First dual binder of microRNA-146a and monomeric tau: a novel approach for multitargeted therapeutics for neurodegenerative diseases
Moustafa Gabr
,
Florent Barbault
Article dans une revue
hal-05591783v1
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Computational approach and electrochemical measurements for protein detection with MIP-based sensor
Zouhour Mazouz
,
Meriem Mokni
,
Najla Fourati
,
Chouki Zerrouki
,
Florent Barbault
et al.
Article dans une revue
hal-02464043v1
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In Vitro interaction between yeast frataxin and superoxide dismutases: Influence of mitochondrial metals
Thi Hong Lien Han
,
Jean-Michel Camadro
,
Florent Barbault
,
Renata Santos
,
Jean-Michel El Hage Chahine
et al.
Article dans une revue
hal-02328345v1
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Insights on porphyrin-functionalized graphene: Theoretical study of substituent and metal-center effects on adsorption
Jeremy Touzeau
,
Florent Barbault
,
François Maurel
,
Mahamadou Seydou
Article dans une revue
istex
hal-05589197v1
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Triggering the Electrolyte-Gated Organic Field-Effect Transistor output characteristics through gate functionalization using diazonium chemistry: Application to biodetection of 2,4-dichlorophenoxyacetic acid
T.T.K. Nguyen
,
T.N. Nguyen
,
G. Anquetin
,
S. Reisberg
,
V. Noël
et al.
Article dans une revue
istex
hal-05589196v1
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Molecular Dynamics Simulation of a RNA Aptasensor
Min Ruan
,
Mahamadou Seydou
,
Vincent Noel
,
Benoit Piro
,
François Maurel
et al.
Article dans une revue
hal-05589194v1
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Tyrosine kinase inhibitor NVP-BGJ398 functionally improves FGFR3-related dwarfism in mouse model
Davide Komla-Ebri
,
Emilie Dambroise
,
Ina Kramer
,
Catherine Benoist-Lasselin
,
Nabil Kaci
et al.
Article dans une revue
hal-05573981v1
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Striking HIV-1 Entry by Targeting HIV-1 gp41. But, Where Should We Target?
Cátia Teixeira
,
Florent Barbault
,
Thierry Couesnon
,
José R B Gomes
,
Paula Gomes
et al.
Article dans une revue
hal-05589190v1
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Molecular modeling study of the induced-fit effect on kinase inhibition: the case of fibroblast growth factor receptor 3 (FGFR3)
Yan Li
,
Michel Delamar
,
Patricia Busca
,
Guillaume Prestat
,
Laurent Le Corre
et al.
Article dans une revue
hal-05573984v1
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Indole alkaloids from the Marquesan plant Rauvolfia nukuhivensis and their effects on ion channels
Nicolas Martin
,
Sara Ferreiro
,
Florent Barbault
,
Mael Nicolas
,
Gaël Lecellier
et al.
Article dans une revue
istex
hal-01100945v1
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A novel small-molecule inhibitor of HIV-1 entry
Erik de Leeuw
,
Alonso Heredia
,
Olga Latinovic
,
Florent Barbault
Article dans une revue
hal-05589182v1
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Simulation with quantum mechanics/molecular mechanics for drug discovery
Florent Barbault
,
François Maurel
Article dans une revue
hal-05589185v1
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Targeted molecular dynamics (TMD) of the full-length KcsA potassium channel: on the role of the cytoplasmic domain in the opening process
Yan Li
,
Florent Barbault
,
Michel Delamar
,
Ruisheng Zhang
,
Rongjing Hu
Article dans une revue
hal-05589097v1
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A new series of Cs+, K+ and Na+ chelators: Synthesis, kinetics, thermodynamics and modeling
Alexandre Korovitch
,
Antoine Le Roux
,
Florent Barbault
,
Miryana Hémadi
,
Nguyêt-Thanh Ha-Duong
et al.
Article dans une revue
istex
hal-05027274v1
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Is the conformational flexibility of piperazine derivatives important to inhibit HIV-1 replication?
Cátia Teixeira
,
Nawal Serradji
,
Souad Amroune
,
Karen Storck
,
Christine Rogez-Kreuz
et al.
Article dans une revue
istex
hal-05589098v1
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Is inhibition process better described with MD(QM/MM) simulations? The case of urokinase type plasminogen activator inhibitors
Florent Barbault
,
François Maurel
Article dans une revue
istex
hal-05589096v1
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A novel tyrosine kinase inhibitor restores chondrocyte differentiation and promotes bone growth in a gain-of-function Fgfr3 mouse model
Aurelie Jonquoy
,
Emilie Mugniery
,
Catherine Benoist-Lasselin
,
Nabil Kaci
,
Laurent Le Corre
et al.
Article dans une revue
hal-01019795v1
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Synthesis of purin-2-yl and purin-6-yl-aminoglucitols as C-nucleosidic ATP mimics and biological evaluation as FGFR3 inhibitors
Lotfi Tak-Tak
,
Florent Barbault
,
François Maurel
,
Patricia Busca
,
Yves Le Merrer
Article dans une revue
istex
hal-05573988v1
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Viral surface glycoproteins, gp120 and gp41, as potential drug targets against HIV-1: Brief overview one quarter of a century past the approval of zidovudine, the first anti-retroviral drug
Cátia Teixeira
,
José R.B. Gomes
,
Paula Gomes
,
François Maurel
,
Florent Barbault
Article dans une revue
hal-05589093v1
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Diarylaniline Derivatives as a Distinct Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors
Bingjie Qin
,
Xingkai Jiang
,
Hong Lu
,
Xingtao Tian
,
Florent Barbault
et al.
Article dans une revue
hal-05589089v1
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Design of novel RNA ligands that bind stem–bulge HIV-1 TAR RNA
Maria Duca
,
Vincent Malnuit
,
Florent Barbault
,
Rachid Benhida
Article dans une revue
istex
hal-05589090v1
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Receptor- and ligand-based 3D-QSAR study for a series of non-nucleoside HIV-1 reverse transcriptase inhibitors
Rongjing Hu
,
Florent Barbault
,
Michel Delamar
,
Ruisheng Zhang
Article dans une revue
hal-05589085v1
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Docking and 3D-QSAR studies of BMS-806 analogs as HIV-1 gp120 entry inhibitors
C. Teixeira
,
N. Serradji
,
F. Maurel
,
Florent Barbault
Article dans une revue
istex
hal-05589086v1
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Rational design of peptides active against the Gram positive bacteria Staphylococcus aureus
Céline Landon
,
Florent Barbault
,
Michèle Legrain
,
Marc Guenneugues
,
Françoise Vovelle
Article dans une revue
istex
hal-00283359v1
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2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitors
Joseph Rebehmed
,
Florent Barbault
,
Cátia Teixeira
,
François Maurel
Article dans une revue
istex
hal-05589078v1
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Functional and Structural Characterization of the Arylamine N-Acetyltransferase from the Opportunistic Pathogen Nocardia farcinica
Marta Martins
,
Benjamin Pluvinage
,
Inès Li de la Sierra-Gallay
,
Florent Barbault
,
Julien Dairou
et al.
Article dans une revue
istex
hal-05589084v1
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Design, Synthesis, and Biological Evaluation of N -Carboxyphenylpyrrole Derivatives as Potent HIV Fusion Inhibitors Targeting gp41
Kun Liu
,
Hong Lu
,
Ling Hou
,
Zhi Qi
,
Cátia Teixeira
et al.
Article dans une revue
hal-05589082v1
|
|
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Cellular interaction through LewisX cluster: theoretical studies
Yun Luo
,
Florent Barbault
,
Chafika Gourmala
,
Yongmin Zhang
,
François Maurel
et al.
Article dans une revue
istex
hal-05589080v1
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Molecular modeling studies of N-substituted pyrrole derivatives—Potential HIV-1 gp41 inhibitors
Cátia Teixeira
,
Florent Barbault
,
Joseph Rebehmed
,
Kun Liu
,
Lan Xie
et al.
Article dans une revue
istex
hal-05589077v1
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|
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Flexible computational docking studies of new aminoglycosides targeting RNA 16S bacterial ribosome site
Florent Barbault
,
Bo Ren
,
Joseph Rebehmed
,
Catia Teixeira
,
Yun Luo
et al.
Article dans une revue
istex
hal-05588993v1
|
|
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Nonlinear SVM Approaches to QSPR/QSAR Studies and Drug Design
Jean-Pierre Doucet
,
Florent Barbault
,
Hairong Xia
,
Annick Panaye
,
Botao Fan
Article dans une revue
hal-05587592v1
|
|
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Elucidation of the LewisX–LewisX carbohydrate interaction with molecular dynamics simulations: A glycosynapse model
Chafika Gourmala
,
Yun Luo
,
Florent Barbault
,
Yongmin Zhang
,
Saïd Ghalem
et al.
Article dans une revue
istex
hal-05587598v1
|
|
|
Total synthesis of 4d-deoxy Lewisx pentasaccharide
Yun Luo
,
Dengxiang Dong
,
Florent Barbault
,
Botao Fan
,
Yongzhou Hu
et al.
Article dans une revue
hal-05588990v1
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|
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First synthesis of two deoxy Lewisx pentaosyl glycosphingolipids
Yun Luo
,
Chafika Gourmala
,
Dengxiang Dong
,
Florent Barbault
,
Botao Fan
et al.
Article dans une revue
istex
hal-05589075v1
|
|
|
Elucidation of chiral recognition processes of macrocyclic antibiotic vancomycin
C. Bauvais
,
Florent Barbault
,
Y. Zhu
,
M. Petitjean
,
B. Fan
Article dans une revue
hal-05587580v1
|
|
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Parametrization of a specific free energy function for automated docking against RNA targets using neural networks
Florent Barbault
,
Liangren Zhang
,
Lihe Zhang
,
Bo Tao Fan
Article dans une revue
istex
hal-05587573v1
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|
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NMR Solution Structure of the Archaebacterial Chromosomal Protein MC1 Reveals a New Protein Fold ‡
Françoise Paquet
,
Françoise Culard
,
Florent Barbault
,
Jean-Claude Maurizot
,
Gérard Lancelot
Article dans une revue
istex
hal-02121481v1
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|
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Le calcul du déplacement chimique, un outil de validation des structures d'acides nucléiques
Florent Barbault
,
Gérard Lancelot
Comptes rendus hebdomadaires des séances de l’Académie des sciences. Série B, Sciences physiques, 2001
Article dans une revue
hal-02164980v1
|